SCHEMBL4099416

SCHEMBL4099416

NNc1ccc([C]=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NNMT P40261 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL247841 0.79 KDM4E (0.57) GAAKDM4EMAPTLMNAMEN1
Water SCHEMBL6221139 0.79 KDM4E (0.57) GAAKDM4EMAPTLMNAMEN1
SCHEMBL29624542 0.79 KDM4E (0.57) GAAKDM4EMAPTLMNAMEN1
Hydrochloric Acid SCHEMBL29700837 0.78 KDM4E (0.55) GAAKDM4EMAPTLMNAMEN1
Hydrochloric Acid SCHEMBL21857700 0.78 KDM4E (0.55) GAAKDM4EMAPTLMNAMEN1
SCHEMBL4756265 0.73 PTK2 (0.59) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL11776219 0.73 GRM5 (0.33)
SCHEMBL2445812 0.71
SCHEMBL3959655 0.69 P2RX7 (0.51) GAAMAPTALDH1A1
SCHEMBL9551722 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US claimed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US claimed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US claimed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP claimed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO claimed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO disclosed
EP-1068222-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER Du Pont Pharmaceuticals Company (US) 2001-01-17 EP disclosed
WO-1999051628-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ GAA 2298/4885KDM4E 4132/4885MAPT 3084/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS GAA 2120/4885KDM4E 4029/4885MAPT 3252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.